3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

C48H64F6N18O4 — CID 158546112

IUPAC3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
SMILESCC(CC(F)(F)F)Nc1cc(N2CCOC[C@@H]2C)ncc1N.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3C(C)CC(F)(F)F)cn12.Cc1nnc2c(NC(C)C)nc(C(=O)O)cn12
InChIInChI=1S/C24H30F3N9O.C14H21F3N4O.C10H13N5O2/c1-13(2)29-21-23-33-32-16(5)35(23)11-18(30-21)22-31-17-10-28-20(34-6-7-37-12-15(34)4)8-19(17)36(22)14(3)9-24(25,26)27;1-9(6-14(15,16)17)20-12-5-13(19-7-11(12)18)21-3-4-22-8-10(21)2;1-5(2)11-8-9-14-13-6(3)15(9)4-7(12-8)10(16)17/h8,10-11,13-15H,6-7,9,12H2,1-5H3,(H,29,30);5,7,9-10H,3-4,6,8,18H2,1-2H3,(H,19,20);4-5H,1-3H3,(H,11,12)(H,16,17)/t14?,15-;9?,10-;/m00./s1
InChIKeyHPDBLHDOZUMOLC-MBONPRDBSA-N
MW1071.15 g/mol
LogP8.00
Rot. Bonds13

About 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid (PubChem CID 158546112) has the molecular formula C48H64F6N18O4 and a molecular weight of 1071.15 g/mol. Its IUPAC name is 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
PubChem CID158546112
Molecular FormulaC48H64F6N18O4
Molecular Weight1071.15 g/mol
Exact Mass1070.53
IUPAC Name3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
SMILESCC(CC(F)(F)F)Nc1cc(N2CCOC[C@@H]2C)ncc1N.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3C(C)CC(F)(F)F)cn12.Cc1nnc2c(NC(C)C)nc(C(=O)O)cn12
InChIInChI=1S/C24H30F3N9O.C14H21F3N4O.C10H13N5O2/c1-13(2)29-21-23-33-32-16(5)35(23)11-18(30-21)22-31-17-10-28-20(34-6-7-37-12-15(34)4)8-19(17)36(22)14(3)9-24(25,26)27;1-9(6-14(15,16)17)20-12-5-13(19-7-11(12)18)21-3-4-22-8-10(21)2;1-5(2)11-8-9-14-13-6(3)15(9)4-7(12-8)10(16)17/h8,10-11,13-15H,6-7,9,12H2,1-5H3,(H,29,30);5,7,9-10H,3-4,6,8,18H2,1-2H3,(H,19,20);4-5H,1-3H3,(H,11,12)(H,16,17)/t14?,15-;9?,10-;/m00./s1
InChIKeyHPDBLHDOZUMOLC-MBONPRDBSA-N
XLogP8.00
TPSA254.11 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.15
LogP ≤ 58.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid with MolForge

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Related Compounds

pyridin-3-amine;N-pyridin-3-yl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 157986632
pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 158564385
imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 159947722
6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine
CID 160760632
8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-N-(oxolan-3-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 161662061
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate
CID 87151680
2-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122478388
N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122478392
lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carboxamide;ethyl 1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylic acid;hydroxide;hydrochloride
CID 159276806
6-[(1-Cyclohexa-1,5-dien-1-yl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 159324496
5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 161000385
N,N-dimethyl-N'-(6-oxo-9-propan-2-yl-1H-purin-2-yl)ethanimidamide;N,N-dimethyl-N'-(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)ethanimidamide;methane;2-(1-morpholin-4-ylethylideneamino)-9-propan-2-yl-1H-purin-6-one;4-(1-morpholin-4-ylethylideneamino)-1-propan-2-ylpyrimidin-2-one;1-morpholin-4-yl-N-(3-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-yl)ethanimine;1-propan-2-yl-4-(1-pyrrolidin-1-ylethylideneamino)pyrimidin-2-one
CID 161592756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?
The IUPAC name of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid (CID 158546112) is 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid is CC(CC(F)(F)F)Nc1cc(N2CCOC[C@@H]2C)ncc1N.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3C(C)CC(F)(F)F)cn12.Cc1nnc2c(NC(C)C)nc(C(=O)O)cn12.
What is the InChIKey of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?
The InChIKey is HPDBLHDOZUMOLC-MBONPRDBSA-N. The full InChI is InChI=1S/C24H30F3N9O.C14H21F3N4O.C10H13N5O2/c1-13(2)29-21-23-33-32-16(5)35(23)11-18(30-21)22-31-17-10-28-20(34-6-7-37-12-15(34)4)8-19(17)36(22)14(3)9-24(25,26)27;1-9(6-14(15,16)17)20-12-5-13(19-7-11(12)18)21-3-4-22-8-10(21)2;1-5(2)11-8-9-14-13-6(3)15(9)4-7(12-8)10(16)17/h8,10-11,13-15H,6-7,9,12H2,1-5H3,(H,29,30);5,7,9-10H,3-4,6,8,18H2,1-2H3,(H,19,20);4-5H,1-3H3,(H,11,12)(H,16,17)/t14?,15-;9?,10-;/m00./s1.
What are the key properties of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?
3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid has a molecular weight of 1071.15 g/mol, XLogP of 8.00, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-(4,4,4-trifluorobutan-2-yl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine;3-methyl-8-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 158546112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).